ChemSpider 2D Image | Methyl (4E,8E,12E)-4,8,12-trimethyl-14-{2,3,4-trimethyl-5-[(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)oxy]phenyl}-4,8,12-tetradecatrienoate | C38H54O10

Methyl (4E,8E,12E)-4,8,12-trimethyl-14-{2,3,4-trimethyl-5-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]phenyl}-4,8,12-tetradecatrienoate

  • Molecular FormulaC38H54O10
  • Average mass670.829 Da
  • Monoisotopic mass670.371704 Da
  • ChemSpider ID8993509

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4E,8E,12E)-4,8,12-Triméthyl-14-{2,3,4-triméthyl-5-[(2,3,4-tri-O-acétyl-β-D-xylopyranosyl)oxy]phényl}-4,8,12-tétradécatriénoate de méthyle [French] [ACD/IUPAC Name]
4,8,12-Tetradecatrienoic acid, 4,8,12-trimethyl-14-[2,3,4-trimethyl-5-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]phenyl]-, methyl ester, (4E,8E,12E)- [ACD/Index Name]
Methyl (4E,8E,12E)-4,8,12-trimethyl-14-{2,3,4-trimethyl-5-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]phenyl}-4,8,12-tetradecatrienoate [ACD/IUPAC Name]
Methyl-(4E,8E,12E)-4,8,12-trimethyl-14-{2,3,4-trimethyl-5-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]phenyl}-4,8,12-tetradecatrienoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 701.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 281.7±32.9 °C
Index of Refraction: 1.528
Molar Refractivity: 182.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 9.68
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1378460.38
ACD/LogD (pH 7.4): 8.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1378460.38
Polar Surface Area: 124 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 593.8±5.0 cm3

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